Geometric isomers of di­chlorido­iron(III) com­plexes of CTMC (5,7,12,14-tetra­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)

Di­chlorido­iron(III) com­plexes of two stereoisomers of a tetra­aza­macrocycle are examined. The stereoisomerism of the macrocycle is shown to determine the geometric isomerism of the resulting metal com­plex, and these results are com­pared to relevant previous reports. Both trans and cis iron–CTM...

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Veröffentlicht in:Acta crystallographica. Section C, Structural chemistry Structural chemistry, 2022-08, Vol.78 (Pt 9), p.507-514
Hauptverfasser: DeLancey, Stephanie S., Clendening, Reese A., Zeller, Matthias, Ren, Tong
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Sprache:eng
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Zusammenfassung:Di­chlorido­iron(III) com­plexes of two stereoisomers of a tetra­aza­macrocycle are examined. The stereoisomerism of the macrocycle is shown to determine the geometric isomerism of the resulting metal com­plex, and these results are com­pared to relevant previous reports. Both trans and cis iron–CTMC com­plexes, namely, trans -di­chlorido­[(5 SR ,7 RS ,12 RS ,14 SR )-5,7,12,14-tetra­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne]iron(III) tetra­chlorido­ferrate, [Fe(C 14 H 32 N 4 )Cl 2 ][FeCl 4 ] ( 1a ), the analogous chloride methanol monosolvate, [Fe(C 14 H 32 N 4 )Cl 2 ]Cl·CH 3 OH ( 1b ), and cis -di­chlo­rido­[(5 SR ,7 RS ,12 SR ,14 RS )-5,7,12,14-tetra­methyl-1,4,8,11-tetra­aza­cyclo­tetra­dec­ane]iron(III) chloride, [Fe(C 14 H 32 N 4 )Cl 2 ]Cl ( 2 ), were successfully synthesized and structurally characterized using X-ray diffraction. The coordination geometry of the macrocycle is dependent on the stereoisomerism of CTMC. The packing of these com­plexes appears to be strongly influenced by extensive hydro­gen-bonding inter­actions, which are in turn determined by the nature of the counter-anions ( 1a versus 1b ) and/or the coordination geometry of the macrocycle ( 1a/1b versus 2 ). These observations are extended to related ferric cis - and trans- di­chloro macrocyclic com­plexes.
ISSN:2053-2296
DOI:10.1107/S205322962200849X